Information card for entry 2017714

Structure parameters

• Common name: ezetimibe anhydrate
• Chemical name: (3<i>R</i>,4<i>S</i>)-1-(4-fluorophenyl)-3-[(3<i>S</i>)-3-(4-fluorophenyl)- 3-hydroxypropyl]-4-(4-hydroxyphenyl)azetidin-2-one
• Formula: C24 H21 F2 N O3
• Calculated formula: C24 H21 F2 N O3
• SMILES: N1(c2ccc(F)cc2)C(=O)[C@H](CC[C@@H](c2ccc(F)cc2)O)[C@H]1c1ccc(O)cc1
• Title of publication: Ezetimibe anhydrate, determined from laboratory powder diffraction data
• Authors of publication: Brüning, Jürgen; Alig, Edith; Schmidt, Martin U.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o341 - o344
• a: 5.94606 ± 0.00019 Å
• b: 15.8898 ± 0.0005 Å
• c: 21.3765 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2019.69 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Goodness-of-fit parameter for all reflections: 1.161
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes